SCHEMBL1844245

SCHEMBL1844245

O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 5/20 0.69
HTR6 P50406 2/20 0.67
MAPT P10636 11/20 0.63
ALDH1A1 P00352 10/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
RAB9A P51151 2/20 0.63
CYP3A4 P08684 2/20 0.63
HTT P42858 1/20 0.63
LMNA P02545 6/20 0.57
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 4/20 0.55
CYP1A2 P05177 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1842484 0.91 DCTPP1 (0.72) DCTPP1HTR6MAPTALDH1A1CYP2C9
SCHEMBL1846178 0.90 MAPT (0.64) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL1843982 0.89 HTR6 (0.67) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL1844113 0.88 HTR6 (0.73) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL1845644 0.86 HTR6 (0.65) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL1842419 0.85 DCTPP1 (0.69) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL1842353 0.85 ALDH1A1 (0.67) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL12259171 0.84 DCTPP1 (0.78) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL1844129 0.84 HTR6 (0.67) DCTPP1HTR6MAPTALDH1A1NPC1
SCHEMBL1841808 0.84 ALDH1A1 (0.76) DCTPP1HTR6MAPTALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO disclosed